(3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine

C11H19N — CID 88998012

IUPAC(3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine
SMILESC/C=C/C(=C\C=C(C)C)C(C)N
InChIInChI=1S/C11H19N/c1-5-6-11(10(4)12)8-7-9(2)3/h5-8,10H,12H2,1-4H3/b6-5+,11-8+
InChIKeyZMFJKCXTJOEXKU-BXROQLSZSA-N
MW165.28 g/mol
LogP2.80
Rot. Bonds3

About (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine

(3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine (PubChem CID 88998012) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine
PubChem CID88998012
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine
SMILESC/C=C/C(=C\C=C(C)C)C(C)N
InChIInChI=1S/C11H19N/c1-5-6-11(10(4)12)8-7-9(2)3/h5-8,10H,12H2,1-4H3/b6-5+,11-8+
InChIKeyZMFJKCXTJOEXKU-BXROQLSZSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine?
The IUPAC name of (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine (CID 88998012) is (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine.
What is the SMILES notation for (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine?
The canonical SMILES for (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine is C/C=C/C(=C\C=C(C)C)C(C)N.
What is the InChIKey of (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine?
The InChIKey is ZMFJKCXTJOEXKU-BXROQLSZSA-N. The full InChI is InChI=1S/C11H19N/c1-5-6-11(10(4)12)8-7-9(2)3/h5-8,10H,12H2,1-4H3/b6-5+,11-8+.
What are the key properties of (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine?
(3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methyl-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-amine is sourced from PubChem (CID 88998012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).